3288-0048 Screening compound: (5Z)-5-({3-bromo-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

3288-0048 Screening compound: (5Z)-5-({3-bromo-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
3288-0048 Screening compound: (5Z)-5-({3-bromo-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3288-0048
(5Z)-5-({3-bromo-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3288-0048

Molecular Formula

C26H20BrFN2O4S (C26 H20 BrFN2 O4 S)

Compound Name

(5Z)-5-({3-bromo-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5Z)-5-({3-bromo-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCOc1cccc(N(C(/C(/C(N2)=O)=C\c(cc3)cc(Br)c3OCc(cc3)ccc3F)=O)C2=S)c1

InChI

InChI=1S/C26H20BrFN2O4S/c1-2-33-20-5-3-4-19(14-20)30-25(32)21(24(31)29-26(30)35)12-17-8-11-23(22(27)13-17)34-15-16-6-9-18(28)10-7-16/h3-14H,2,15H2,1H3,(H,29,31,35)

InChI Key

VIRPAUPIWLZDJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.314

Distribution Coefficient, logD

5.089

Water Solubility, LogSw

-5.39

Polar Surface Area

54.666

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 3288-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3288-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3288-0048
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3288-0048 available by request